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1(4),6(4)-Dibenzyloxy-7,16-di(methoxycarbonylmethyl)-2,5,10,13-tetraoxa-7,16-diaza-1(1,2),6(1,2)-dibenzenacyclohexadecaphane-1(5),6(5)-dicarbaldehyde

View entire compound with spectra: 1 MS (GC)

1(4),6(4)-Dibenzyloxy-7,16-di(methoxycarbonylmethyl)-2,5,10,13-tetraoxa-7,16-diaza-1(1,2),6(1,2)-dibenzenacyclohexadecaphane-1(5),6(5)-dicarbaldehyde
SpectraBase Compound ID OczRq6zdEJ
InChI InChI=1S/C42H46N2O12/c1-49-41(47)25-43-13-15-51-17-18-52-16-14-44(26-42(48)50-2)36-24-38(56-30-32-11-7-4-8-12-32)34(28-46)22-40(36)54-20-19-53-39-21-33(27-45)37(23-35(39)43)55-29-31-9-5-3-6-10-31/h3-12,21-24,27-28H,13-20,25-26,29-30H2,1-2H3
InChIKey ZLBCTODUGXRUQA-UHFFFAOYSA-N
Mol Weight 770.8 g/mol
Molecular Formula C42H46N2O12
Exact Mass 770.305075 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ACbtJnnfpSA
Name 1(4),6(4)-Dibenzyloxy-7,16-di(methoxycarbonylmethyl)-2,5,10,13-tetraoxa-7,16-diaza-1(1,2),6(1,2)-dibenzenacyclohexadecaphane-1(5),6(5)-dicarbaldehyde
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H46N2O12
InChI InChI=1S/C42H46N2O12/c1-49-41(47)25-43-13-15-51-17-18-52-16-14-44(26-42(48)50-2)36-24-38(56-30-32-11-7-4-8-12-32)34(28-46)22-40(36)54-20-19-53-39-21-33(27-45)37(23-35(39)43)55-29-31-9-5-3-6-10-31/h3-12,21-24,27-28H,13-20,25-26,29-30H2,1-2H3
InChIKey ZLBCTODUGXRUQA-UHFFFAOYSA-N
Molecular Weight 770.832 g/mol
SMILES c12N(CCOCCOCCN(c3c(OCCOc1cc(c(c2)OCc1ccccc1)C=O)cc(c(c3)OCc1ccccc1)C=O)CC(=O)OC)CC(=O)OC
SPLASH splash10-0006-9000000000-58d778fa6a8a715a0d12
Source of Spectrum KC-0-1621-12
Wiley ID 821465